SCHEMBL13477884

SCHEMBL13477884

C=CC(=O)OCC(CC)(COCC(CC)(COC(O)C=C)COC(O)C=C)COC(=O)C=C

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.57
ALDH1A1 P00352 4/20 0.46
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 7/20 0.37
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16314606 0.96 THRB (0.54) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL10026131 0.96 THRB (0.54) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL16314554 0.89 ALDH1A1 (0.58) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL39816 0.86 THRB (0.74) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL15082554 0.85 THRB (0.72) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL21164111 0.83 MAPK1 (0.51) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL238953 0.81 THRB (0.70) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL29516228 0.80 ALDH1A1 (0.68) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL28389145 0.80 ALDH1A1 (0.68) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL5866608 0.80 ALDH1A1 (0.68) THRBALDH1A1TP53HIF1ACYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828611-B2 Non-aqueous electrolyte and electrochemical device comprising the same LG CHEM, LTD. (KR) 2014-09-09 US disclosed
US-8828611-B2 Non-aqueous electrolyte and electrochemical device comprising the same LG CHEM, LTD. (KR) 2014-09-09 US disclosed
US-20100035160-A1 Non-Aqueous Electrolyte And Electrochemical Device Comprising The Same LG CHEM, LTD. (KR) 2010-02-11 US disclosed
US-20100035160-A1 Non-Aqueous Electrolyte And Electrochemical Device Comprising The Same LG CHEM, LTD. (KR) 2010-02-11 US disclosed